Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19332373 | 1.00 | CES2 (0.33) | CES2CES1ALDH1A1 | |
| SCHEMBL29063087 | 0.81 | GPR183 (0.34) | ALDH1A1 | |
| SCHEMBL22620681 | 0.80 | MAPT (0.38) | CES2CES1ALDH1A1 | |
| SCHEMBL29015576 | 0.78 | — | — | |
| SCHEMBL29015487 | 0.78 | — | — | |
| SCHEMBL23147748 | 0.78 | GLA (0.35) | — | |
| SCHEMBL21647411 | 0.78 | NPC1 (0.35) | — | |
| SCHEMBL13906467 | 0.77 | — | — | |
| SCHEMBL18299918 | 0.76 | CYP1A1 (0.38) | CES2ALDH1A1 | |
| SCHEMBL18299915 | 0.76 | CYP1A1 (0.38) | CES2ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017156181-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |